SCHEMBL27633201

SCHEMBL27633201

O=[SH](=O)Oc1cccc2ccccc12.[NaH]

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
KDM4E B2RXH2 4/20 0.46
HPGD P15428 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
HSD17B10 Q99714 3/20 0.44
PGR P06401 1/20 0.44
GAA P10253 1/20 0.44
PTGS1 P23219 1/20 0.44
MAPK1 P28482 1/20 0.44
HTR1B P28222 5/20 0.44
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
RAB9A P51151 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
KCNA3 P22001 1/20 0.42
OGG1 O15527 1/20 0.41
HTR1D P28221 1/20 0.41
PTGES O14684 1/20 0.40
ALOX5 P09917 1/20 0.40
SLC6A4 P31645 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL27295492 1.00 ALDH1A1 (0.46) ALDH1A1KDM4EHPGDTDP1HSD17B10
SCHEMBL15347180 0.98 ALDH1A1 (0.47) ALDH1A1KDM4EHPGDTDP1HSD17B10
SCHEMBL27881181 0.96 ALDH1A1 (0.46) ALDH1A1KDM4EHPGDTDP1HSD17B10
SCHEMBL27881173 0.96 ALDH1A1 (0.46) ALDH1A1KDM4EHPGDTDP1HSD17B10
SCHEMBL27881174 0.96 ALDH1A1 (0.46) ALDH1A1KDM4EHPGDTDP1HSD17B10
Water SCHEMBL27847397 0.96 ALDH1A1 (0.46) ALDH1A1KDM4EHPGDTDP1HSD17B10
SCHEMBL27864915 0.96 ALDH1A1 (0.46) ALDH1A1KDM4EHPGDTDP1HSD17B10
Ammonia Solution, Strong SCHEMBL28142910 0.96 ALDH1A1 (0.46) ALDH1A1KDM4EHPGDTDP1HSD17B10
Water SCHEMBL27864884 0.94 ALDH1A1 (0.44) ALDH1A1KDM4EHPGDTDP1HSD17B10
P-Xylene SCHEMBL27448989 0.89 ALDH1A1 (0.44) ALDH1A1KDM4EHPGDTDP1HSD17B10

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1922188-A Pharmacologically acceptable salts of clopidogrel SIEGFRIED GENERICS INT AG (CH) 2007-02-28 CN claimed
CN-108366936-A PET CARE COMPOSITIONS 梅里亚股份有限公司 2018-08-03 CN disclosed
CN-108366935-A Pet care cleansing compositions 梅里亚股份有限公司 2018-08-03 CN disclosed
CN-1791376-B Personal care applications of emulsions containing elastomeric silanes and siloxanes with nitrogen atoms DOW CORNING 2010-08-18 CN disclosed
CN-1922188-A Pharmacologically acceptable salts of clopidogrel SIEGFRIED GENERICS INT AG (CH) 2007-02-28 CN disclosed
CN-1791376-A Personal care applications of emulsions containing elastomeric silanes and siloxanes with nitrogen atoms DOW CORNING (US) 2006-06-21 CN disclosed